SCHEMBL3087658

SCHEMBL3087658

CCc1ccc(Cc2cccc3ccc[c]c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TP53 P04637 1/20 0.33
CXCR4 P61073 1/20 0.33
SLC5A2 P31639 2/20 0.31
SLC5A1 P13866 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
KCNN2 Q9H2S1 1/20 0.31
KCNN3 Q9UGI6 1/20 0.31
KEAP1 Q14145 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3074353 0.83 SLC5A2 (0.34) SLC5A2SLC5A1KCNN2KCNN3
SCHEMBL3089243 0.83 LTA4H (0.46) TP53
SCHEMBL3097520 0.83 SLC6A4 (0.49) CYP1A2SLC5A2SLC5A1
SCHEMBL458549 0.82 GABRA1 (0.41) CYP1A2GABRA1GABRB2
SCHEMBL3087655 0.75 TLR8 (0.33) TP53SLC5A2SLC5A1
SCHEMBL5141784 0.75 GRM5 (0.33) GABRA1GABRB2
SCHEMBL2257083 0.72 TLR8 (0.38)
SCHEMBL27838122 0.72 CYP2C19 (0.49) CYP1A2CYP2A6
SCHEMBL9227837 0.71
SCHEMBL2251931 0.70 LIPG (0.45)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
CN-101495494-A Fused ring spiroketal derivative and use thereof as therapeutic agent for diabetes CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-07-29 CN disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR CYP1A2 1128/4885CYP2A6 79/4885TP53 4276/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.